N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(bromomethyl)benzamide

Systemtic Name: N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(bromomethyl)benzamide Openeye Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(bromomethyl)benzamide CAS Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(bromomethyl)benzamide IUPAC Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(bromomethyl)benzamide Traditional Name: N-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(bromomethyl)benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCNC(=O)C3=CC=C(C=C3)CBr

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCNC(=O)C3=CC=C(C=C3)CBr

InChI

InChI=1S/C21H21BrN4O2/c22-13-14-8-10-16(11-9-14)19(27)24-12-4-7-17-18(15-5-2-1-3-6-15)25-21(23)26-20(17)28/h1-3,5-6,8-11H,4,7,12-13H2,(H,24,27)(H3,23,25,26,28)